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1 // 1 //
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18 // * This code implementation is the result 18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboratio 19 // * technical work of the GEANT4 collaboration. *
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24 // ******************************************* 24 // ********************************************************************
25 // 25 //
26 // This example is provided by the Geant4-DNA 26 // This example is provided by the Geant4-DNA collaboration
27 // Any report or published results obtained us 27 // Any report or published results obtained using the Geant4-DNA software
28 // shall cite the following Geant4-DNA collabo 28 // shall cite the following Geant4-DNA collaboration publication:
29 // Med. Phys. 37 (2010) 4692-4708 29 // Med. Phys. 37 (2010) 4692-4708
30 // Delage et al. PDB4DNA: implementation of DN 30 // Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
31 // Bank (PDB) description for 31 // Bank (PDB) description for Geant4-DNA Monte-Carlo
32 // simulations (submitted to 32 // simulations (submitted to Comput. Phys. Commun.)
33 // The Geant4-DNA web site is available at htt 33 // The Geant4-DNA web site is available at http://geant4-dna.org
34 // 34 //
35 // 35 //
36 /// \file PDBresidue.cc 36 /// \file PDBresidue.cc
37 /// \brief Implementation of the PDBresidue cl 37 /// \brief Implementation of the PDBresidue class
38 38
39 #include "PDBresidue.hh" 39 #include "PDBresidue.hh"
40 40
41 //....oooOO0OOooo........oooOO0OOooo........oo 41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
42 42
43 Residue::Residue() << 43 Residue::Residue():fResName(""),fResSeq(0),fVisible(false),fSelected(false),
44 : fResName(""), << 44 fCenterX(0),fCenterY(0),fCenterZ(0),fNbAtom(0),fpNext(0),fpFirst(0)
45 fResSeq(0), << 45 {
46 fVisible(false), << 46 }
47 fSelected(false), <<
48 fCenterX(0), <<
49 fCenterY(0), <<
50 fCenterZ(0), <<
51 fNbAtom(0), <<
52 fpNext(0), <<
53 fpFirst(0) <<
54 {} <<
55 47
56 //....oooOO0OOooo........oooOO0OOooo........oo 48 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
57 49
58 Residue::Residue(const std::string& rN, int rS << 50 Residue::Residue(const std::string& rN,int rS)
59 { << 51 {
60 fResName = rN; // Residue name << 52 fResName=rN;// Residue name
61 fResSeq = rS; // Residue sequence number << 53 fResSeq=rS; // Residue sequence number
62 fVisible = false; << 54 fVisible=false;
63 fSelected = false; << 55 fSelected=false;
64 fCenterX = 0; << 56 fCenterX=0;
65 fCenterY = 0; << 57 fCenterY=0;
66 fCenterZ = 0; << 58 fCenterZ=0;
67 fNbAtom = 0; << 59 fNbAtom=0;
68 fpNext = 0; << 60 fpNext=0;
69 fpFirst = 0; << 61 fpFirst=0;
70 } 62 }
71 63
72 //....oooOO0OOooo........oooOO0OOooo........oo 64 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
73 65
74 Residue* Residue::GetNext() << 66 Residue *Residue::GetNext()
75 { 67 {
76 return fpNext; 68 return fpNext;
77 } 69 }
78 70
79 //....oooOO0OOooo........oooOO0OOooo........oo 71 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
80 72
81 Atom* Residue::GetFirst() << 73 Atom *Residue::GetFirst()
82 { 74 {
83 return fpFirst; 75 return fpFirst;
84 } 76 }
85 77
86 //....oooOO0OOooo........oooOO0OOooo........oo 78 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
87 79
88 int Residue::GetID() 80 int Residue::GetID()
89 { 81 {
90 return fResSeq; 82 return fResSeq;
91 } 83 }
92 84
93 //....oooOO0OOooo........oooOO0OOooo........oo 85 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
94 86
95 void Residue::SetNext(Residue* residueNext) << 87 void Residue::SetNext(Residue *residueNext)
96 { 88 {
97 fpNext = residueNext; << 89 fpNext=residueNext;
98 } 90 }
99 91
100 //....oooOO0OOooo........oooOO0OOooo........oo 92 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
101 93
102 void Residue::SetFirst(Atom* atomFirst) << 94 void Residue::SetFirst(Atom *atomFirst)
103 { 95 {
104 fpFirst = atomFirst; << 96 fpFirst=atomFirst;
105 } 97 }
106 98